3-amino-2-bromo-5-chloro-N-(3,5-dimethylphenyl)benzenesulfonamide

C14H14BrClN2O2S — CID 62956348

IUPAC3-amino-2-bromo-5-chloro-N-(3,5-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(Cl)cc(N)c2Br)c1
InChIInChI=1S/C14H14BrClN2O2S/c1-8-3-9(2)5-11(4-8)18-21(19,20)13-7-10(16)6-12(17)14(13)15/h3-7,18H,17H2,1-2H3
InChIKeyNTYCWTPNECAFKZ-UHFFFAOYSA-N
MW389.70 g/mol
LogP4.10
Rot. Bonds3

About 3-amino-2-bromo-5-chloro-N-(3,5-dimethylphenyl)benzenesulfonamide

3-amino-2-bromo-5-chloro-N-(3,5-dimethylphenyl)benzenesulfonamide (PubChem CID 62956348) has the molecular formula C14H14BrClN2O2S and a molecular weight of 389.70 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-(3,5-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-(3,5-dimethylphenyl)benzenesulfonamide
PubChem CID62956348
Molecular FormulaC14H14BrClN2O2S
Molecular Weight389.70 g/mol
Exact Mass387.96
IUPAC Name3-amino-2-bromo-5-chloro-N-(3,5-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(Cl)cc(N)c2Br)c1
InChIInChI=1S/C14H14BrClN2O2S/c1-8-3-9(2)5-11(4-8)18-21(19,20)13-7-10(16)6-12(17)14(13)15/h3-7,18H,17H2,1-2H3
InChIKeyNTYCWTPNECAFKZ-UHFFFAOYSA-N
XLogP4.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 62956708
3-amino-2-bromo-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 62955301
3-amino-5-chloro-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 114379875
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012272
3-amino-2-bromo-5-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 66251428
3-amino-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 103050231
3-amino-2-bromo-5-chloro-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide
CID 63997482
3-amino-5-chloro-N-(3-chloro-5-fluorophenyl)-2-methylbenzenesulfonamide
CID 107363523
3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide
CID 55153657
3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide
CID 62955473
3-amino-2-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 62956542
3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83166228

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-(3,5-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-(3,5-dimethylphenyl)benzenesulfonamide (CID 62956348) is 3-amino-2-bromo-5-chloro-N-(3,5-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-(3,5-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-(3,5-dimethylphenyl)benzenesulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2cc(Cl)cc(N)c2Br)c1.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-(3,5-dimethylphenyl)benzenesulfonamide?
The InChIKey is NTYCWTPNECAFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2S/c1-8-3-9(2)5-11(4-8)18-21(19,20)13-7-10(16)6-12(17)14(13)15/h3-7,18H,17H2,1-2H3.
What are the key properties of 3-amino-2-bromo-5-chloro-N-(3,5-dimethylphenyl)benzenesulfonamide?
3-amino-2-bromo-5-chloro-N-(3,5-dimethylphenyl)benzenesulfonamide has a molecular weight of 389.70 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-5-chloro-N-(3,5-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 62956348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).